1-ethenoxy-3-(3-ethenoxyphenyl)benzene

C16H14O2 — CID 118354654

IUPAC1-ethenoxy-3-(3-ethenoxyphenyl)benzene
SMILESC=COc1cccc(-c2cccc(OC=C)c2)c1
InChIInChI=1S/C16H14O2/c1-3-17-15-9-5-7-13(11-15)14-8-6-10-16(12-14)18-4-2/h3-12H,1-2H2
InChIKeyJRQNRJIOGKGYMD-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.40
Rot. Bonds5

About 1-ethenoxy-3-(3-ethenoxyphenyl)benzene

1-ethenoxy-3-(3-ethenoxyphenyl)benzene (PubChem CID 118354654) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-ethenoxy-3-(3-ethenoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethenoxy-3-(3-ethenoxyphenyl)benzene
PubChem CID118354654
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-ethenoxy-3-(3-ethenoxyphenyl)benzene
SMILESC=COc1cccc(-c2cccc(OC=C)c2)c1
InChIInChI=1S/C16H14O2/c1-3-17-15-9-5-7-13(11-15)14-8-6-10-16(12-14)18-4-2/h3-12H,1-2H2
InChIKeyJRQNRJIOGKGYMD-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethenoxy-3-(3-ethenoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-(3-ethenoxyphenyl)benzene?
The IUPAC name of 1-ethenoxy-3-(3-ethenoxyphenyl)benzene (CID 118354654) is 1-ethenoxy-3-(3-ethenoxyphenyl)benzene.
What is the SMILES notation for 1-ethenoxy-3-(3-ethenoxyphenyl)benzene?
The canonical SMILES for 1-ethenoxy-3-(3-ethenoxyphenyl)benzene is C=COc1cccc(-c2cccc(OC=C)c2)c1.
What is the InChIKey of 1-ethenoxy-3-(3-ethenoxyphenyl)benzene?
The InChIKey is JRQNRJIOGKGYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-17-15-9-5-7-13(11-15)14-8-6-10-16(12-14)18-4-2/h3-12H,1-2H2.
What are the key properties of 1-ethenoxy-3-(3-ethenoxyphenyl)benzene?
1-ethenoxy-3-(3-ethenoxyphenyl)benzene has a molecular weight of 238.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-(3-ethenoxyphenyl)benzene is sourced from PubChem (CID 118354654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).